Basic information
- CAS
35231-93-7- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)Oc1ccccc1C(=O)O- InChIKey
JKSRIBQOANQUOA-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- Benzoic acid, 2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
- IUPAC
- 2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid
Names & synonyms
BRN 274501935231-93-72-((2,2,4,4-Tetramethyl-1-oxopentyl)oxy)benzoic acidBenzoic acid, 2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-RefChem:3266052-[(2,2,4,4-tetramethylpentanoyl)oxy]benzoic acidDTXSID90956668
Database identifiers
- CAS
35231-93-7- PubChem CID
- 215217
- DTXSID
DTXSID90956668
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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